(1R,8R,9S,12R)-9,12-dimethyl-4,14-dioxatetracyclo[6.4.3.01,9.03,7]pentadeca-3(7),5-dien-15-one
| Internal ID | 0539e364-a5af-41b8-b2a5-f3d404146eea |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (1R,8R,9S,12R)-9,12-dimethyl-4,14-dioxatetracyclo[6.4.3.01,9.03,7]pentadeca-3(7),5-dien-15-one |
| SMILES (Canonical) | CC1CCC2(C13CC4=C(C2C(=O)OC3)C=CO4)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@@]13CC4=C([C@@H]2C(=O)OC3)C=CO4)C |
| InChI | InChI=1S/C15H18O3/c1-9-3-5-14(2)12-10-4-6-17-11(10)7-15(9,14)8-18-13(12)16/h4,6,9,12H,3,5,7-8H2,1-2H3/t9-,12-,14+,15-/m1/s1 |
| InChI Key | BLBXGSKOYPSCNN-QBXIECCESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (1R,8R,9S,12R)-9,12-dimethyl-4,14-dioxatetracyclo[6.4.3.01,9.03,7]pentadeca-3(7),5-dien-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r8r9s12r-912-dimethyl-414-dioxatetracyclo643019037pentadeca-375-dien-15-one.jpg "2D Structure of (1R,8R,9S,12R)-9,12-dimethyl-4,14-dioxatetracyclo[6.4.3.01,9.03,7]pentadeca-3(7),5-dien-15-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.04% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.45% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.83% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.28% | 97.25% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.93% | 95.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.72% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.40% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.83% | 97.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.75% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.15% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.63% | 99.23% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Porella grandiloba |
| PubChem | 102316776 |
| LOTUS | LTS0084083 |
| wikiData | Q104937882 |